KEGG   COMPOUND: C10071Help
Entry
C10071                      Compound                               

Name
1-Isomangostin
Formula
C24H26O6
Exact mass
410.1729
Mol weight
410.4596
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Polyketides
  Pyrones
   Xanthenes
    C10071  1-Isomangostin
BRITE hierarchy
Other DBs
CAS: 19275-44-6
PubChem: 12257
ChEBI: 636
ChEMBL: CHEMBL481309
KNApSAcK: C00002958
3DMET: B03513
NIKKAJI: J2.300.766E
KCF data Show

ATOM        30
            1   C8y C    22.0931  -15.5238
            2   C8y C    20.8932  -16.2227
            3   C8y C    22.0988  -14.1259
            4   C8y C    23.2985  -16.2284
            5   C8y C    19.6759  -15.5238
            6   O2x O    20.8932  -17.6262
            7   O2x O    23.3102  -13.4270
            8   C8x C    20.8932  -13.4213
            9   C8y C    24.5100  -15.5295
            10  O5x O    23.2928  -17.6262
            11  C8y C    19.6759  -14.1259
            12  C1x C    18.4586  -16.2227
            13  C1z C    19.6759  -18.3311
            14  C8y C    24.5217  -14.1317
            15  C8y C    25.7097  -16.2401
            16  O1a O    18.4586  -13.4213
            17  C1x C    18.4586  -17.6262
            18  C1a C    18.7442  -19.4552
            19  C1a C    20.6432  -19.3965
            20  C8x C    25.7389  -13.4446
            21  C8y C    26.9270  -15.5528
            22  C1b C    25.6981  -17.6379
            23  C8y C    26.9446  -14.1550
            24  O2a O    28.1385  -16.2634
            25  C2b C    26.9096  -18.3542
            26  O1a O    28.1618  -13.4620
            27  C1a C    29.3558  -15.5761
            28  C2c C    26.8920  -19.7520
            29  C1a C    28.1036  -20.4626
            30  C1a C    25.6748  -20.4393
BOND        33
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    9  15 1
            15   11  16 1
            16   12  17 1
            17   13  18 1
            18   13  19 1
            19   14  20 1
            20   15  21 2
            21   15  22 1
            22   20  23 2
            23   21  24 1
            24   22  25 1
            25   23  26 1
            26   24  27 1
            27   25  28 2
            28   28  29 1
            29   28  30 1
            30    8  11 2
            31    9  14 2
            32   13  17 1
            33   21  23 1

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